PubChemLite - 66165-38-6 (C15H23N15)

Structural Information

Molecular Formula

SMILES

C(CC1=NC(=NC(=N1)N)N)CC(CCC2=NC(=NC(=N2)N)N)C3=NC(=NC(=N3)N)N

InChI

InChI=1S/C15H23N15/c16-10-22-7(23-11(17)28-10)3-1-2-6(9-26-14(20)30-15(21)27-9)4-5-8-24-12(18)29-13(19)25-8/h6H,1-5H2,(H4,16,17,22,23,28)(H4,18,19,24,25,29)(H4,20,21,26,27,30)

InChIKey

GFUSSRBWWPRREH-UHFFFAOYSA-N

Compound name

6-[4,6-bis(4,6-diamino-1,3,5-triazin-2-yl)hexyl]-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	414.23335	198.9
[M+Na]+	436.21529	207.7
[M-H]-	412.21879	198.6
[M+NH4]+	431.25989	195.9
[M+K]+	452.18923	198.5
[M+H-H2O]+	396.22333	187.4
[M+HCOO]-	458.22427	214.0
[M+CH3COO]-	472.23992	203.8
[M+Na-2H]-	434.20074	204.5
[M]+	413.22552	193.9
[M]-	413.22662	193.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

414.23335

198.9

[M+Na]+

436.21529

207.7

[M-H]-

412.21879

198.6

[M+NH4]+

431.25989

195.9

[M+K]+

452.18923

198.5

[M+H-H2O]+

396.22333

187.4

[M+HCOO]-

458.22427

214.0

[M+CH3COO]-

472.23992

203.8

[M+Na-2H]-

434.20074

204.5

[M]+

413.22552

193.9

[M]-

413.22662

193.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

66165-38-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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